AG00GVYS

931-33-9 | 4-BROMOPYROLE-2-CARBOXALDEHYDE

AG00GVYS

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CAS Number	931-33-9
Catalog Number	AG00GVYS(AGN-PC-0JTKEW)
Chemical Name	4-BROMOPYROLE-2-CARBOXALDEHYDE
IUPAC Name	4-bromo-1H-pyrrole-2-carbaldehyde
InChI	InChI=1S/C5H4BrNO/c6-4-1-5(3-8)7-2-4/h1-3,7H
InChI Key	RFQYNGQAZZSGFM-UHFFFAOYSA-N
MDL Number	MFCD02179586
Molecular Formula	C5H4BrNO
Molecular Weight	173.9954
SMILES	O=CC1=CC(Br)=CN1
Synonyms	4-Bromo-1H-pyrrole-2-carbaldehyde, 931-33-9, 4-Bromo-1H-pyrrole-2-carboxaldehyde, 4-bromo-2-pyrrolecarboxaldehyde, 1H-Pyrrole-2-carboxaldehyde, 4-bromo-, RFQYNGQAZZSGFM-UHFFFAOYSA-N, 4-BROMOPYROLE-2-CARBOXALDEHYDE, 4-Bromopyrrole-2-carboxaldehyde, 4-bromo-2-formylpyrrole, AC1LCD7B, 4-bromopyrrole-2-carbaldehyde, SCHEMBL2362181, CTK3G9738, KS-00000ODR, DTXSID30344803, ZINC337448, BCP05404, ANW-61884, MFCD02179586, SBB088835, 4-Bromo-1H-pyrrole-2-carbaldehyde #, AKOS006230227, CS-W020675, MP-0353, PS-3316, AJ-19844, AK-41795, CJ-02960, DB-079486, TC-150629, 4CH-010095, FT-0660609, ST24028916, Z5357, 4-Bromo-1H-pyrrole-2-carbaldehyde, AldrichCPR, C5H4BrNO, CID599627, ZINC00337448, 4-(1-pyrrolidinylmethyl)benzoic acid,

Complexity	96.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.948g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.997g/mol
Monoisotopic Mass	172.948g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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